#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000540.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9000540
loop_
_publ_author_name
'Hazen, R. M.'
_publ_section_title
;
 Effects of temperature and pressure on the crystal structure of forsterite
 T = 23 C P = 40 kb
 olivine
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1280
_journal_page_last               1293
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Mg2 O4 Si'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.734
_cell_length_b                   10.02
_cell_length_c                   5.940
_cell_volume                     281.762
_diffrn_ambient_pressure         4e+06
_diffrn_ambient_temperature      296.15
_exptl_crystal_density_diffrn    3.317
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_551'
_[local]_cod_chemical_formula_sum_orig 'Si Mg2 O4'
_cod_database_code               9000540
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si 0.42600 0.09300 0.25000 0.00570
Mg1 0.00000 0.00000 0.00000 0.00469
Mg2 0.99100 0.28000 0.25000 0.00659
O1 0.76800 0.09700 0.25000 0.00127
O2 0.22800 0.44400 0.25000 ?
O3 0.27600 0.15800 0.03500 0.00507